ethyl 1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]piperidine-4-carboxylate CAS Name: 1-[[1-methyl-3-(4-phenoxyphenyl)-4-pyrazolyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]piperidine-4-carboxylate Traditional Name: 1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]isonipecotic acid ethyl ester Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)CC2=CN(N=C2C3=CC=C(C=C3)OC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)CC2=CN(N=C2C3=CC=C(C=C3)OC4=CC=CC=C4)C

InChI

InChI=1S/C25H29N3O3/c1-3-30-25(29)20-13-15-28(16-14-20)18-21-17-27(2)26-24(21)19-9-11-23(12-10-19)31-22-7-5-4-6-8-22/h4-12,17,20H,3,13-16,18H2,1-2H3